2-(furan-2-carbonyl)thiobenzaldehyde

C12H8O2S — CID 173264012

IUPAC2-(furan-2-carbonyl)thiobenzaldehyde
SMILESO=C(c1ccco1)c1ccccc1C=S
InChIInChI=1S/C12H8O2S/c13-12(11-6-3-7-14-11)10-5-2-1-4-9(10)8-15/h1-8H
InChIKeyJZKYRYZYHIYWPE-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.86
Rot. Bonds3

About 2-(furan-2-carbonyl)thiobenzaldehyde

2-(furan-2-carbonyl)thiobenzaldehyde (PubChem CID 173264012) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)thiobenzaldehyde.

Molecular Properties

Compound Name2-(furan-2-carbonyl)thiobenzaldehyde
PubChem CID173264012
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Name2-(furan-2-carbonyl)thiobenzaldehyde
SMILESO=C(c1ccco1)c1ccccc1C=S
InChIInChI=1S/C12H8O2S/c13-12(11-6-3-7-14-11)10-5-2-1-4-9(10)8-15/h1-8H
InChIKeyJZKYRYZYHIYWPE-UHFFFAOYSA-N
XLogP2.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
furan-2-yl(phosphanyl)methanone
CID 151549332
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
CID 43463653
furan-2-yl-(2-phenylquinolin-3-yl)methanone
CID 164676438

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)thiobenzaldehyde?
The IUPAC name of 2-(furan-2-carbonyl)thiobenzaldehyde (CID 173264012) is 2-(furan-2-carbonyl)thiobenzaldehyde.
What is the SMILES notation for 2-(furan-2-carbonyl)thiobenzaldehyde?
The canonical SMILES for 2-(furan-2-carbonyl)thiobenzaldehyde is O=C(c1ccco1)c1ccccc1C=S.
What is the InChIKey of 2-(furan-2-carbonyl)thiobenzaldehyde?
The InChIKey is JZKYRYZYHIYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-12(11-6-3-7-14-11)10-5-2-1-4-9(10)8-15/h1-8H.
What are the key properties of 2-(furan-2-carbonyl)thiobenzaldehyde?
2-(furan-2-carbonyl)thiobenzaldehyde has a molecular weight of 216.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)thiobenzaldehyde is sourced from PubChem (CID 173264012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).